General Information of the Compound
Compound ID |
CP0545078
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Compound Name |
N-[(2-chloro-5-nitrophenyl)carbamothioyl]adamantane-1-carboxamide
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Structure |
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Formula |
C18H20ClN3O3S
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Molecular Weight |
393.896
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Canonical SMILES |
[O-][N+](=O)c1ccc(Cl)c(NC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)c1
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InChI |
InChI=1S/C18H20ClN3O3S/c19-14-2-1-13(22(24)25)6-15(14)20-17(26)21-16(23)18-7-10-3-11(8-18)5-12(4-10)9-18/h1-2,6,10-12H,3-5,7-9H2,(H2,20,21,23,26)
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InChIKey |
FMNLAJCOXCELDJ-UHFFFAOYSA-N
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Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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PubChem ID |
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT04148, P2X purinoceptor 2
Protein ID: PT02908, P2X purinoceptor 4
Protein ID: PT01449, P2X purinoceptor 7